6-(4-aminophenyl)-N-propan-2-yl-2-pyridin-3-ylquinazolin-4-amine

C22H21N5 — CID 89347971

IUPAC6-(4-aminophenyl)-N-propan-2-yl-2-pyridin-3-ylquinazolin-4-amine
SMILESCC(C)Nc1nc(-c2cccnc2)nc2ccc(-c3ccc(N)cc3)cc12
InChIInChI=1S/C22H21N5/c1-14(2)25-22-19-12-16(15-5-8-18(23)9-6-15)7-10-20(19)26-21(27-22)17-4-3-11-24-13-17/h3-14H,23H2,1-2H3,(H,25,26,27)
InChIKeyHZHWOMTTWWFTEX-UHFFFAOYSA-N
MW355.45 g/mol
LogP4.76
Rot. Bonds4

About 6-(4-aminophenyl)-N-propan-2-yl-2-pyridin-3-ylquinazolin-4-amine

6-(4-aminophenyl)-N-propan-2-yl-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 89347971) has the molecular formula C22H21N5 and a molecular weight of 355.45 g/mol. Its IUPAC name is 6-(4-aminophenyl)-N-propan-2-yl-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound Name6-(4-aminophenyl)-N-propan-2-yl-2-pyridin-3-ylquinazolin-4-amine
PubChem CID89347971
Molecular FormulaC22H21N5
Molecular Weight355.45 g/mol
Exact Mass355.18
IUPAC Name6-(4-aminophenyl)-N-propan-2-yl-2-pyridin-3-ylquinazolin-4-amine
SMILESCC(C)Nc1nc(-c2cccnc2)nc2ccc(-c3ccc(N)cc3)cc12
InChIInChI=1S/C22H21N5/c1-14(2)25-22-19-12-16(15-5-8-18(23)9-6-15)7-10-20(19)26-21(27-22)17-4-3-11-24-13-17/h3-14H,23H2,1-2H3,(H,25,26,27)
InChIKeyHZHWOMTTWWFTEX-UHFFFAOYSA-N
XLogP4.76
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-methyl-6-(4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71180199
N-[6-(4-acetylphenyl)-2-pyridin-3-ylquinazolin-4-yl]acetamide
CID 71181229
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 8567794
6-methyl-N-propan-2-yl-2-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 155233683
3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenol
CID 67297993
N-[(2S)-3-methylbutan-2-yl]-2-pyridin-3-ylquinazolin-4-amine
CID 9111435
2-pyridin-3-yl-6-pyrimidin-5-ylquinazolin-4-amine
CID 71180731
6-(3-fluoro-4-iodophenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 122494265
6-(5-methoxy-3-pyridinyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71179842
N-methyl-6-(4-propoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71179891
N-methyl-6-(3-methylsulfinylphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71274519
N-methyl-6-(3-nitrophenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 89347896

Frequently Asked Questions

What is the IUPAC name of 6-(4-aminophenyl)-N-propan-2-yl-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of 6-(4-aminophenyl)-N-propan-2-yl-2-pyridin-3-ylquinazolin-4-amine (CID 89347971) is 6-(4-aminophenyl)-N-propan-2-yl-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for 6-(4-aminophenyl)-N-propan-2-yl-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for 6-(4-aminophenyl)-N-propan-2-yl-2-pyridin-3-ylquinazolin-4-amine is CC(C)Nc1nc(-c2cccnc2)nc2ccc(-c3ccc(N)cc3)cc12.
What is the InChIKey of 6-(4-aminophenyl)-N-propan-2-yl-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is HZHWOMTTWWFTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5/c1-14(2)25-22-19-12-16(15-5-8-18(23)9-6-15)7-10-20(19)26-21(27-22)17-4-3-11-24-13-17/h3-14H,23H2,1-2H3,(H,25,26,27).
What are the key properties of 6-(4-aminophenyl)-N-propan-2-yl-2-pyridin-3-ylquinazolin-4-amine?
6-(4-aminophenyl)-N-propan-2-yl-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 355.45 g/mol, XLogP of 4.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-aminophenyl)-N-propan-2-yl-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 89347971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).